N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide

C16H25N3O3 — CID 91907829

IUPACN-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(OCCOc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3/c1-13(2)18-16(20)19-8-5-14(6-9-19)21-10-11-22-15-4-3-7-17-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,18,20)
InChIKeyHADIRVRJBMPNQE-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.06
Rot. Bonds6

About N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide

N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide (PubChem CID 91907829) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide
PubChem CID91907829
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(OCCOc2cccnc2)CC1
InChIInChI=1S/C16H25N3O3/c1-13(2)18-16(20)19-8-5-14(6-9-19)21-10-11-22-15-4-3-7-17-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,18,20)
InChIKeyHADIRVRJBMPNQE-UHFFFAOYSA-N
XLogP2.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide (CID 91907829) is N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(OCCOc2cccnc2)CC1.
What is the InChIKey of N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide?
The InChIKey is HADIRVRJBMPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(2)18-16(20)19-8-5-14(6-9-19)21-10-11-22-15-4-3-7-17-12-15/h3-4,7,12-14H,5-6,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide?
N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2-pyridin-3-yloxyethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 91907829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).